N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-14-10-12-24(13-11-14)20(27)15-6-8-16(9-7-15)22-21(30)23-19(26)17-4-2-3-5-18(17)25(28)29/h2-9,14H,10-13H2,1H3,(H2,22,23,26,30)